ChemSpider 2D Image | (3beta,5xi,13alpha,14beta,17alpha,20R)-3-Hydroxy-23,26-epoxylanosta-8,23,25-trien-22-one | C30H44O3

(3β,5ξ,13α,14β,17α,20R)-3-Hydroxy-23,26-epoxylanosta-8,23,25-trien-22-one

  • Molecular FormulaC30H44O3
  • Average mass452.669 Da
  • Monoisotopic mass452.329041 Da
  • ChemSpider ID78439913

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,5ξ,13α,14β,17α,20R)-3-Hydroxy-23,26-epoxylanosta-8,23,25-trien-22-on [German] [ACD/IUPAC Name]
(3β,5ξ,13α,14β,17α,20R)-3-Hydroxy-23,26-epoxylanosta-8,23,25-trien-22-one [ACD/IUPAC Name]
(3β,5ξ,13α,14β,17α,20R)-3-Hydroxy-23,26-époxylanosta-8,23,25-trién-22-one [French] [ACD/IUPAC Name]
Lanosta-8,23,25-trien-22-one, 23,26-epoxy-3-hydroxy-, (3β,5ξ,13α,14β,17α,20R)- [ACD/Index Name]
Igniarine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 550.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 286.7±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 132.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 8.03
ACD/LogD (pH 5.5): 7.61
ACD/BCF (pH 5.5): 355857.56
ACD/KOC (pH 5.5): 327473.97
ACD/LogD (pH 7.4): 7.61
ACD/BCF (pH 7.4): 355857.56
ACD/KOC (pH 7.4): 327473.97
Polar Surface Area: 50 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 411.6±5.0 cm3

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